Showing 1–10 of 10 results
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Jan 25, 2024Advancing Scanning Probe Microscopy Simulations: A Decade of Development in Probe-Particle ModelsAug 23, 2023Tailoring magnetism of nanographenes via tip-controlled dehydrogenationMar 24, 2020AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenanceMay 26, 2023How to verify the precision of density-functional-theory implementations via reproducible and universal workflowsSep 29, 2020AiiDAlab -- an ecosystem for developing, executing, and sharing scientific workflowsAug 29, 2019On-surface synthesis of antiaromatic and open-shell indeno[2,1-b]fluorene polymers and their lateral fusion into porous ribbonsMay 11, 2021Common workflows for computing material properties using different quantum enginesDec 18, 2025AiiDAlab: on the route to accelerate scienceMar 27, 2020Materials Cloud, a platform for open computational scienceJul 25, 2025Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app